1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid

C13H20N2O2 — CID 114528834

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESCn1ccnc1CCC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H20N2O2/c1-15-10-9-14-11(15)5-8-13(12(16)17)6-3-2-4-7-13/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyCEKSOTMCYXJCNK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid

1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid (PubChem CID 114528834) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
PubChem CID114528834
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESCn1ccnc1CCC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H20N2O2/c1-15-10-9-14-11(15)5-8-13(12(16)17)6-3-2-4-7-13/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyCEKSOTMCYXJCNK-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114532598
2-[2-(1-methylimidazol-2-yl)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 114532607
1-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63293396
1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
CID 103450287
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
3-[2-(1-methylimidazol-2-yl)ethyl]-2,4-dihydrochromene-3-carboxylic acid
CID 114532606
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid (CID 114528834) is 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid is Cn1ccnc1CCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is CEKSOTMCYXJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-10-9-14-11(15)5-8-13(12(16)17)6-3-2-4-7-13/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid?
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114528834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).